CID 16684197

Einecs 248-559-1

Structural Information

Molecular Formula
C18H24HgO4
SMILES
CCCCC(CC)COC(=O)/C=C/C(=O)O[Hg]C1=CC=CC=C1
InChI
InChI=1S/C12H20O4.C6H5.Hg/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;1-2-4-6-5-3-1;/h7-8,10H,3-6,9H2,1-2H3,(H,13,14);1-5H;/q;;+1/p-1/b8-7+;;
InChIKey
HSNHKPGAPVRKQV-MIIBGCIDSA-M
Compound name
[(E)-4-(2-ethylhexoxy)-4-oxobut-2-enoyl]oxy-phenylmercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.1381 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.14538 208.0
[M+Na]+ 529.12732 216.2
[M+NH4]+ 524.17192 212.1
[M+K]+ 545.10126 208.5
[M-H]- 505.13082 207.0
[M+Na-2H]- 527.11277 208.7
[M]+ 506.13755 208.4
[M]- 506.13865 208.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.